[2-(tert-butylamino)-2-oxidanylidene-ethyl] 4-(2-cyanoethanoylamino)benzoate

Systemtic Name: [2-(tert-butylamino)-2-oxidanylidene-ethyl] 4-(2-cyanoethanoylamino)benzoate Openeye Name: [2-(tert-butylamino)-2-oxo-ethyl] 4-[(2-cyanoacetyl)amino]benzoate CAS Name: 4-[(2-cyano-1-oxoethyl)amino]benzoic acid [2-(tert-butylamino)-2-oxoethyl] ester IUPAC Name: [2-(tert-butylamino)-2-oxoethyl] 4-[(2-cyanoacetyl)amino]benzoate Traditional Name: 4-[(2-cyanoacetyl)amino]benzoic acid [2-(tert-butylamino)-2-keto-ethyl] ester Formula: C16H19N3O4 MolecularWeight: 317.33976

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)COC(=O)C1=CC=C(C=C1)NC(=O)CC#N

Isomeric SMILES

CC(C)(C)NC(=O)COC(=O)C1=CC=C(C=C1)NC(=O)CC#N

InChI

InChI=1S/C16H19N3O4/c1-16(2,3)19-14(21)10-23-15(22)11-4-6-12(7-5-11)18-13(20)8-9-17/h4-7H,8,10H2,1-3H3,(H,18,20)(H,19,21)